6-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[5-azanyl-6-oxidanylidene-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-(5-amino-6-oxo-6-thiazolidin-3-yl-hexyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[5-amino-6-oxo-6-(3-thiazolidinyl)hexyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-(5-amino-6-keto-6-thiazolidin-3-yl-hexyl)piperazino]nicotinic acid Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H29N5O3S/c20-16(18(25)24-11-12-28-14-24)3-1-2-6-22-7-9-23(10-8-22)17-5-4-15(13-21-17)19(26)27/h4-5,13,16H,1-3,6-12,14,20H2,(H,26,27)